In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N2-isopropyl-N2-(2,2,2-trifluoroethyl)tetralin-1,2-diamine (1S,2R)-N2-isopropyl-N2-(2,2,2-t…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.55 | 5.88 | -40.17 | 3 | 2 | 1 | 31 | 287.349 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 5.62 | -3.13 | 2 | 2 | 0 | 29 | 286.341 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 7.39 | -122.03 | 4 | 2 | 2 | 32 | 288.357 | 4 | ↓ |